3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol

C14H21NO2 — CID 103743260

IUPAC3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol
SMILESCOC1CC(NCc2cccc(O)c2)C1(C)C
InChIInChI=1S/C14H21NO2/c1-14(2)12(8-13(14)17-3)15-9-10-5-4-6-11(16)7-10/h4-7,12-13,15-16H,8-9H2,1-3H3
InChIKeyYOXDRLXZNJQREG-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.30
Rot. Bonds4

About 3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol

3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol (PubChem CID 103743260) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol
PubChem CID103743260
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol
SMILESCOC1CC(NCc2cccc(O)c2)C1(C)C
InChIInChI=1S/C14H21NO2/c1-14(2)12(8-13(14)17-3)15-9-10-5-4-6-11(16)7-10/h4-7,12-13,15-16H,8-9H2,1-3H3
InChIKeyYOXDRLXZNJQREG-UHFFFAOYSA-N
XLogP2.30
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-iodophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 114282912
3-methoxy-2,2-dimethyl-N-(thiophen-3-ylmethyl)cyclobutan-1-amine
CID 103743184
3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
CID 95971660
N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743234
3-methoxy-2,2-dimethyl-N-(1H-pyrrol-2-ylmethyl)cyclobutan-1-amine
CID 103578692
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743145
6-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]pyridine-2-carboxylic acid
CID 114119978
N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103743110
3-methoxy-2,2-dimethyl-N-[(5-nitrothiophen-3-yl)methyl]cyclobutan-1-amine
CID 113253068
N-ethyl-2,2-dimethyl-3-phenylmethoxycyclobutan-1-amine
CID 66358982
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293
3-[(cyclobutylamino)methyl]phenol
CID 62416890

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol?
The IUPAC name of 3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol (CID 103743260) is 3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol is COC1CC(NCc2cccc(O)c2)C1(C)C.
What is the InChIKey of 3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol?
The InChIKey is YOXDRLXZNJQREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2)12(8-13(14)17-3)15-9-10-5-4-6-11(16)7-10/h4-7,12-13,15-16H,8-9H2,1-3H3.
What are the key properties of 3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol?
3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-methoxy-2,2-dimethylcyclobutyl)amino]methyl]phenol is sourced from PubChem (CID 103743260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).